input word = C00010792

Metabolite InformationStructural formula
Name Secologanol
Formula C17H26O10
Mw 390.15259705
CAS RN 72463-81-1
C_ID C00010792 ,
InChIKey GHRNLKSWTKHISE-MMUHZDHGNA-N
InChICode InChI=1S/C17H26O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,7-9,11-14,16-22H,1,4-6H2,2H3/t8-,9+,11+,12+,13-,14-,16+,17-/m0/s1
SMILES [C@H]1([C@@H]([C@H](OC=C1C(=O)OC)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO)C=C)CCO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeGentiana straminea Ref.
PlantaeGentianaceaeGentiana verna Ref.
zoom in